SCHEMBL28713871

SCHEMBL28713871

OC[C@H]1O[C@@H](Oc2ccc(Cc3ccc(O)c(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 2/20 0.65
▸ DRD2 P14416 1/20 0.56
▸ DRD4 P21917 1/20 0.56
▸ SLC5A2 P31639 2/20 0.55
▸ SLC5A1 P13866 1/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ PPARG P37231 1/20 0.53
▸ PPARD Q03181 1/20 0.53
▸ PPARA Q07869 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29366264 1.00 TYR (0.65) TYRDRD2DRD4SLC5A2SLC5A1
SCHEMBL28716182 0.87 TYR (0.86) TYRSLC5A2SLC5A1NPC1RAB9A
SCHEMBL4285656 0.84 TYR (0.68) TYRSLC5A2SLC5A1
SCHEMBL1037902 0.84 TYR (0.68) TYRSLC5A2SLC5A1
SCHEMBL10795676 0.83 SLC5A2 (0.70) TYRSLC5A2SLC5A1POLB
SCHEMBL28713870 0.83 SLC5A2 (0.74) TYRSLC5A2SLC5A1NPC1RAB9A
SCHEMBL10795679 0.83 SLC5A2 (0.70) TYRSLC5A2SLC5A1POLB
SCHEMBL13396040 0.82 TYR (0.87) TYRPOLBKDM4EMAPT
SCHEMBL16785945 0.82 TYR (0.87) TYRPOLBKDM4EMAPT
SCHEMBL17366540 0.82 TYR (0.87) TYRPOLBKDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113980071-A Salidroside derivatives and application thereof 重庆大学 2022-01-28 — — CN disclosed
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